3-[2-(hydroxymethyl)piperidin-1-yl]cyclopent-2-en-1-one

Name: 3-[2-(hydroxymethyl)piperidin-1-yl]cyclopent-2-en-1-one — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₁H₁₇NO₂ — CID 104787748

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC3-[2-(hydroxymethyl)piperidin-1-yl]cyclopent-2-en-1-one

SMILESO=C1C=C(N2CCCCC2CO)CC1

InChIInChI=1S/C11H17NO2/c13-8-10-3-1-2-6-12(10)9-4-5-11(14)7-9/h7,10,13H,1-6,8H2

InChIKeyKQCGWGYJIBJSDC-UHFFFAOYSA-N

MW195.26 g/mol

LogP1.08

Rot. Bonds2

About 3-[2-(hydroxymethyl)piperidin-1-yl]cyclopent-2-en-1-one

3-[2-(hydroxymethyl)piperidin-1-yl]cyclopent-2-en-1-one (PubChem CID 104787748) has the molecular formula C₁₁H₁₇NO₂ and a molecular weight of 195.26 g/mol. Its IUPAC name is 3-[2-(hydroxymethyl)piperidin-1-yl]cyclopent-2-en-1-one.

Molecular Properties

Compound Name	3-[2-(hydroxymethyl)piperidin-1-yl]cyclopent-2-en-1-one
PubChem CID	104787748
Molecular Formula	C₁₁H₁₇NO₂
Molecular Weight	195.26 g/mol
Exact Mass	195.13
IUPAC Name	3-[2-(hydroxymethyl)piperidin-1-yl]cyclopent-2-en-1-one
SMILES	O=C1C=C(N2CCCCC2CO)CC1
InChI	InChI=1S/C11H17NO2/c13-8-10-3-1-2-6-12(10)9-4-5-11(14)7-9/h7,10,13H,1-6,8H2
InChIKey	KQCGWGYJIBJSDC-UHFFFAOYSA-N
XLogP	1.08
TPSA	40.54 Å²
H-Bond Donors	1
H-Bond Acceptors	3
Rotatable Bonds	2
Heavy Atoms	14
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	195.26
LogP ≤ 5	1.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3-[2-(hydroxymethyl)piperidin-1-yl]cyclopent-2-en-1-one?

The IUPAC name of 3-[2-(hydroxymethyl)piperidin-1-yl]cyclopent-2-en-1-one (CID 104787748) is 3-[2-(hydroxymethyl)piperidin-1-yl]cyclopent-2-en-1-one.

What is the SMILES notation for 3-[2-(hydroxymethyl)piperidin-1-yl]cyclopent-2-en-1-one?

The canonical SMILES for 3-[2-(hydroxymethyl)piperidin-1-yl]cyclopent-2-en-1-one is O=C1C=C(N2CCCCC2CO)CC1.

What is the InChIKey of 3-[2-(hydroxymethyl)piperidin-1-yl]cyclopent-2-en-1-one?

The InChIKey is KQCGWGYJIBJSDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c13-8-10-3-1-2-6-12(10)9-4-5-11(14)7-9/h7,10,13H,1-6,8H2.

What are the key properties of 3-[2-(hydroxymethyl)piperidin-1-yl]cyclopent-2-en-1-one?

3-[2-(hydroxymethyl)piperidin-1-yl]cyclopent-2-en-1-one has a molecular weight of 195.26 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-(hydroxymethyl)piperidin-1-yl]cyclopent-2-en-1-one is sourced from PubChem (CID 104787748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 104787748 — identifiers, structure, computed properties (public domain)

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